Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.30 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.30 |
| ▸ | PGR | P06401 | 1/20 | 0.30 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.30 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL29161117 | 0.81 | TSHR (0.32) | TSHRCYP3A4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL830416 | 0.79 | GABRA1 (0.36) | TSHRCYP3A4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL3785333 | 0.78 | TSHR (0.50) | TSHRCYP3A4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL28773636 | 0.77 | CYP1A2 (0.34) | CYP3A4CYP2D6LMNA | |
| SCHEMBL4088437 | 0.77 | TAAR1 (0.33) | CYP3A4SLC6A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL11606150 | 0.74 | CYP3A4 (0.44) | TSHRCYP3A4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL3871873 | 0.72 | ALDH1A1 (0.36) | CYP3A4SLC6A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL3229749 | 0.72 | CYP3A4 (0.36) | TSHRCYP3A4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL31448567 | 0.72 | TAAR1 (0.31) | TAAR1IDO1 | |
| SCHEMBL4973239 | 0.72 | TAAR1 (0.31) | TAAR1IDO1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109111463-B | Method for producing aromatic compound | DIC株式会社 | 2022-07-01 | — | — | CN | disclosed |
| CN-112457287-A | Preparation method of E-olopatadine | 重庆西南制药二厂有限责任公司 | 2021-03-09 | — | — | CN | disclosed |